0 mol 7 unq 0 iso 0 dist 8.70159 6.1206 5.35168 7.67927 10.1219 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.70159 7.67927 10.1219 6.1206 5.35168 4.80709 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.44189 7.18022 7.31884 6.24711 4.38777 3.39994 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 9.44189 6.24711 4.38777 7.18022 7.31884 3.39994 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.79143 8.68662 12.8099 7.4369 10.4668 3.30399 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.79143 7.4369 10.4668 8.68662 12.8099 3.30399 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.43377 5.5087 4.25755 6.08682 6.08046 5.30471 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 6.43377 6.08682 6.08046 5.5087 4.25755 5.30471 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 4.5985 9.90751 10.3433 9.21662 8.59989 6.25463 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 4.5985 9.21662 8.59989 9.90751 10.3433 6.25463 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.50009 9.10524 4.20094 6.42772 5.40695 7.62195 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 6.50009 6.42772 5.40695 9.10524 4.20094 7.62195 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.65986 9.00918 15.3248 7.99477 15.8799 4.87973 numMergedOcc 0
13 mol 134 unq 1 iso 1 dist 8.65986 7.99477 15.8799 9.00918 15.3248 4.87973 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.47008 6.64173 7.11838 9.01624 8.25265 11.196 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 8.47008 9.01624 8.25265 6.64173 7.11838 11.196 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.47008 6.64173 7.11838 9.55105 5.42919 10.1041 numMergedOcc 0
17 mol 181 unq 1 iso 1 dist 8.47008 9.55105 5.42919 6.64173 7.11838 10.1041 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.47008 9.01624 8.25265 9.55105 5.42919 3.55187 numMergedOcc 0
19 mol 181 unq 1 iso 1 dist 8.47008 9.55105 5.42919 9.01624 8.25265 3.55187 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.64379 7.2793 7.32479 9.51091 6.54014 3.47886 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 8.64379 9.51091 6.54014 7.2793 7.32479 3.47886 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.64379 7.2793 7.32479 7.85184 9.61273 12.5618 numMergedOcc 0
23 mol 186 unq 1 iso 1 dist 8.64379 7.85184 9.61273 7.2793 7.32479 12.5618 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.64379 9.51091 6.54014 7.85184 9.61273 14.2448 numMergedOcc 0
25 mol 186 unq 1 iso 1 dist 8.64379 7.85184 9.61273 9.51091 6.54014 14.2448 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.88976 6.50998 5.95485 9.09424 13.0993 8.05944 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 9.88976 9.09424 13.0993 6.50998 5.95485 8.05944 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 9.88976 6.50998 5.95485 8.14831 17.2402 13.7858 numMergedOcc 0
29 mol 225 unq 1 iso 1 dist 9.88976 8.14831 17.2402 6.50998 5.95485 13.7858 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 9.88976 9.09424 13.0993 8.14831 17.2402 11.2712 numMergedOcc 0
31 mol 225 unq 1 iso 1 dist 9.88976 8.14831 17.2402 9.09424 13.0993 11.2712 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 7.48753 8.19317 5.67913 6.29377 4.80217 4.8835 numMergedOcc 0
33 mol 235 unq 0 iso 1 dist 7.48753 6.29377 4.80217 8.19317 5.67913 4.8835 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.64122 9.63573 5.82108 7.66153 11.464 10.3051 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 7.64122 7.66153 11.464 9.63573 5.82108 10.3051 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 8.11169 9.30212 10.5817 6.4611 14.0768 13.5848 numMergedOcc 0
37 mol 274 unq 0 iso 1 dist 8.11169 6.4611 14.0768 9.30212 10.5817 13.5848 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 8.73167 9.30212 11.8445 6.4611 10.2248 13.5848 numMergedOcc 0
39 mol 274 unq 1 iso 1 dist 8.73167 6.4611 10.2248 9.30212 11.8445 13.5848 numMergedOcc 0
